N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide

C18H18BrFN2O3S — CID 35400948

IUPACN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18BrFN2O3S/c19-14-3-7-17(8-4-14)26(24,25)22-11-9-16(10-12-22)21-18(23)13-1-5-15(20)6-2-13/h1-8,16H,9-12H2,(H,21,23)
InChIKeyRVMFWUBCDCFUCU-UHFFFAOYSA-N
MW441.32 g/mol
LogP3.17
Rot. Bonds4

About N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide

N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide (PubChem CID 35400948) has the molecular formula C18H18BrFN2O3S and a molecular weight of 441.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
PubChem CID35400948
Molecular FormulaC18H18BrFN2O3S
Molecular Weight441.32 g/mol
Exact Mass440.02
IUPAC NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18BrFN2O3S/c19-14-3-7-17(8-4-14)26(24,25)22-11-9-16(10-12-22)21-18(23)13-1-5-15(20)6-2-13/h1-8,16H,9-12H2,(H,21,23)
InChIKeyRVMFWUBCDCFUCU-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 24793463
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
4-bromo-N-(1-methylsulfonylpyrrolidin-3-yl)benzamide
CID 110871266
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylfuran-2-carboxamide
CID 47090079
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
N-cyclopropyl-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 109058274
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide (CID 35400948) is N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide?
The InChIKey is RVMFWUBCDCFUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3S/c19-14-3-7-17(8-4-14)26(24,25)22-11-9-16(10-12-22)21-18(23)13-1-5-15(20)6-2-13/h1-8,16H,9-12H2,(H,21,23).
What are the key properties of N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide?
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide has a molecular weight of 441.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 35400948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).